SCHEMBL21068602

SCHEMBL21068602

C=CCCCCOC(F)(F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ABCC4 O15439 1/20 0.42
LPAR3 Q9UBY5 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP3A4 P08684 3/20 0.31
TSHR P16473 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3627972 0.78 MAPT (0.42) MAPTABCC4LPAR3LPAR2ALDH1A1
SCHEMBL1118373 0.76 LPAR3 (0.41) MAPTABCC4LPAR3LPAR2ALDH1A1
SCHEMBL4449133 0.75 ABCC4 (0.44) MAPTABCC4LPAR3LPAR2ALDH1A1
SCHEMBL24361244 0.75 CES2 (0.48)
SCHEMBL1118354 0.74 LPAR3 (0.44) MAPTABCC4LPAR3LPAR2ALDH1A1
SCHEMBL27238597 0.74 CYP3A4 (0.31) ALDH1A1L3MBTL1CYP3A4TSHR
SCHEMBL34470893 0.74 LPAR3 (0.44) MAPTABCC4LPAR3LPAR2ALDH1A1
SCHEMBL17124999 0.74 ODC1 (0.36) MAPTLMNASMN1; SMN2
SCHEMBL24361090 0.73 CES2 (0.52) ALDH1A1TSHR
SCHEMBL24361251 0.73 CES2 (0.52) ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 MAPT 4490/4885ABCC4 279/4885LPAR3 1129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.